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4-Methyl-N-[(2,5,5-trimethyltetrahydro-2H-pyran-2-yl)methyl]benzenesulfonamide
SpectraBase Compound ID J0gItLl45kF
InChI InChI=1S/C16H25NO3S/c1-13-5-7-14(8-6-13)21(18,19)17-11-16(4)10-9-15(2,3)12-20-16/h5-8,17H,9-12H2,1-4H3
InChIKey XKSXMUHAKZKPPC-UHFFFAOYSA-N
Mol Weight 311.44 g/mol
Molecular Formula C16H25NO3S
Exact Mass 311.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJfX7U6rl14
Name 4-Methyl-N-[(2,5,5-trimethyltetrahydro-2H-pyran-2-yl)methyl]benzenesulfonamide
Appearance Colorless oil
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Exact Mass 311.155514840 u
Formula C16H25NO3S
InChI InChI=1S/C16H25NO3S/c1-13-5-7-14(8-6-13)21(18,19)17-11-16(4)10-9-15(2,3)12-20-16/h5-8,17H,9-12H2,1-4H3
InChIKey XKSXMUHAKZKPPC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710895
Quality 93
Reported Formula C16H25NO3S
SMILES N(CC1(CCC(C)(C)CO1)C)S(C1=CC=C(C=C1)C)(=O)=O
SPLASH splash10-056r-3900000000-a83a783f5ecbf4d94152
Source of Spectrum ACI-57-SM77-10b (DOI: 10.1002/anie.201710895)
Wiley ID 1890766